CID 106142

Einecs 267-763-1

Structural Information

Molecular Formula
C20H21N5O4
SMILES
CCC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H21N5O4/c1-2-20(26)29-15-14-24(13-3-12-21)18-8-4-16(5-9-18)22-23-17-6-10-19(11-7-17)25(27)28/h4-11H,2-3,13-15H2,1H3
InChIKey
FNYGFJSSCAOWLI-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16664 201.0
[M+Na]+ 418.14858 205.2
[M-H]- 394.15208 208.0
[M+NH4]+ 413.19318 209.7
[M+K]+ 434.12252 199.0
[M+H-H2O]+ 378.15662 187.5
[M+HCOO]- 440.15756 225.0
[M+CH3COO]- 454.17321 236.9
[M+Na-2H]- 416.13403 204.0
[M]+ 395.15881 198.3
[M]- 395.15991 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.